N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N

InChI

InChI=1S/C27H34N4O4/c28-22-11-15-24(16-12-22)30(27(33)21-6-2-1-3-7-21)18-19-5-4-8-23(17-19)29-26(32)20-9-13-25(14-10-20)31(34)35/h4-5,8-10,13-14,17,21-22,24H,1-3,6-7,11-12,15-16,18,28H2,(H,29,32)